An Improved Integration Scheme for Mode-Coupling-Theory Equations

DOI10.4208/CICP.OA-2020-0125MaRDI QIDQ5163198zbMATH OpenOpenAlexFDO

Authors Michele Caraglio, Lukas Schrack, Gerhard Jung, Thomas Franosch

Publication date 3 November 2021

Published in Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2007.07621

zbMATH Keywords

glass transition mode coupling theoryhard diskhard sphereintegro-differential equationnonuniform discretizationnumerical integration

Mathematics Subject Classification ID

Numerical integration (65D30) Basic methods in fluid mechanics (76M99) Multiphase and multicomponent flows (76T99)

Abstract: Within the mode-coupling theory (MCT) of the glass transition, we reconsider the numerical schemes to evaluate the MCT functional. Here we propose nonuniform discretizations of the wave number, in contrast to the standard equidistant grid, in order to decrease the number of grid points without losing accuracy. We discuss in detail how the integration scheme on the new grids has to be modified from standard Riemann integration. We benchmark our approach by solving the MCT equations numerically for mono-disperse hard disks and hard spheres and by computing the critical packing fraction and the nonergodicity parameters. Our results show that significant improvements in performance can be obtained by employing a nonuniform grid.

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Cites work

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• Introduction
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Cited in

(2)

• A generalization of the method of incompatible modes
• Tagged-particle motion in quasi-confined colloidal hard-sphere liquids

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